N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide

C15H23N3O3 — CID 82990644

IUPACN,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide
SMILESCC(C)CCCNc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-11(2)6-5-9-16-13-10-12(15(19)17(3)4)7-8-14(13)18(20)21/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyXKAUKRLPDYDFLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds7

About N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide

N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide (PubChem CID 82990644) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide
PubChem CID82990644
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide
SMILESCC(C)CCCNc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-11(2)6-5-9-16-13-10-12(15(19)17(3)4)7-8-14(13)18(20)21/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyXKAUKRLPDYDFLT-UHFFFAOYSA-N
XLogP3.14
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(3-methylsulfanylpropylamino)-4-nitrobenzamide
CID 82988556
3-(5-methylhexylamino)-4-nitrobenzamide
CID 82995129
N,N-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]-4-nitrobenzamide
CID 82990657
3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82989241
3-(but-3-ynylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82988689
3-(4-hydroxypentylamino)-N-methyl-4-nitrobenzamide
CID 106128772
3-[(2-amino-3-hydroxybutyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82990915
N,N-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]-4-nitrobenzamide
CID 82990669
tert-butyl N-[3-[5-[bis(3-methylbutyl)carbamoyl]-2-nitroanilino]propyl]carbamate
CID 68789966
3-(1,3-dihydroxypropan-2-ylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82988962
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide?
The IUPAC name of N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide (CID 82990644) is N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide.
What is the SMILES notation for N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide?
The canonical SMILES for N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide is CC(C)CCCNc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide?
The InChIKey is XKAUKRLPDYDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)6-5-9-16-13-10-12(15(19)17(3)4)7-8-14(13)18(20)21/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide?
N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylpentylamino)-4-nitrobenzamide is sourced from PubChem (CID 82990644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).